[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-(4-chlorophenyl)thiazole-4-carboxylate CAS Name: 2-(4-chlorophenyl)-4-thiazolecarboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-chlorophenyl)thiazole-4-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CSC(=N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CSC(=N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18ClN3O3S/c20-14-6-4-13(5-7-14)17-22-15(11-27-17)18(25)26-10-16(24)23-19(12-21)8-2-1-3-9-19/h4-7,11H,1-3,8-10H2,(H,23,24)